Strained hydrogen bonding in imidazole trimer: a combined infrared, Raman, and theory study

Abstract

This is not how three imidazole molecules prefer to arrange, as a combined IR, Raman and computational analysis unambiguously shows.

Selective crystallization via vibrational strong coupling

“…5(A) and (B) show the Raman signatures of pure samples of ZIF-8 and ZIF-L, respectively (Fig. S6), where the band at 3165 cm -1 assigned to the N-H related vibration is clearly present for only ZIF-L. 33 The Raman spectrum of the product of crystallization in free solution clearly shows that a mixture of ZIF-8 and ZIF-L is present (Fig. 5C).…”

Soft experimental constraints for soft interactions: a spectroscopic benchmark data set for weak and strong hydrogen bonds

“…84,85 Vibrational perturbation theory 62 may represent an alternative particularly for stiff high frequency modes, where it appears to be quite successful even in hydrogenbonded situations. 86 However, this is difficult to prove rigorously in the absence of analogous results from fully converged wavefunction methods and potential energy hypersurfaces of spectroscopic accuracy for the same systems. This is particularly true whenever large amplitude motion like methyl rotation comes into play.…”

Selective Crystallization via Vibrational Strong Coupling

“…4(a) and (b) show the Raman signatures of pure samples of ZIF-8 and ZIF-L, respectively (see Figs. S4 and S5), where the band at 3165 cm −1 assigned to the N-H stretch is clearly present for only ZIF-L 36 . The Raman spectrum of the product of crystallization in free solution clearly shows that a mixture of ZIF-8 and ZIF-L is present (Fig.…”